SCHEMBL7996629

SCHEMBL7996629

CSCC[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 5/20 0.42
NMT2 O60551 4/20 0.42
SLC15A2 Q16348 1/20 0.39
TLR2 O60603 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 1/20 0.37
QRFPR Q96P65 2/20 0.37
GLO1 Q04760 1/20 0.36
TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7996622 1.00 NMT1 (0.42) NMT1NMT2SLC15A2TLR2SIRT6
SCHEMBL7998072 0.91 GLO1 (0.41) FNTAFNTBPGGT1BGLO1TSHR
SCHEMBL7998068 0.91 GLO1 (0.41) FNTAFNTBPGGT1BGLO1TSHR
SCHEMBL29568856 0.90 NMT1 (0.46) NMT1NMT2SLC15A2TLR2SIRT6
SCHEMBL30843077 0.89 PTGS1 (0.42) NMT1NMT2SLC15A2SIRT6SIRT1
SCHEMBL30561241 0.89 PTGS1 (0.42) NMT1NMT2SLC15A2SIRT6SIRT1
SCHEMBL29427845 0.89 PTGS1 (0.42) NMT1NMT2SLC15A2SIRT6SIRT1
SCHEMBL29714931 0.89 PTGS1 (0.42) NMT1NMT2SLC15A2SIRT6SIRT1
SCHEMBL30026553 0.89 PTGS1 (0.42) NMT1NMT2SLC15A2SIRT6SIRT1
SCHEMBL30102096 0.89 PTGS1 (0.42) NMT1NMT2SLC15A2SIRT6SIRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291639-B1 ORGAN-SPECIFIC PROBES FOR TUMOR OR INFLAMMATION IMAGING; KITS WITH RADIISOTOPES INSTITUT FUE DIAGNOSTIKFORSCHUNG GMBH (DE) 2001-09-18 US claimed
CN-1134159-A Cysteine-free metal-binding peptides for diagnostic and therapeutic purposes, method for the production thereof and medicaments containing these compounds DIAGNOSTIKFORSCHUNG INST (DE) 1996-10-23 CN claimed
CN-1073116-C Cysteine-free metal complex peptides, method for the production thereof and radiopharmaceutical preparations DIAGNOSTIKFORSCHUNG INST (DE) 2001-10-17 CN disclosed
US-6291639-B1 ORGAN-SPECIFIC PROBES FOR TUMOR OR INFLAMMATION IMAGING; KITS WITH RADIISOTOPES INSTITUT FUE DIAGNOSTIKFORSCHUNG GMBH (DE) 2001-09-18 US disclosed
CN-1134159-A Cysteine-free metal-binding peptides for diagnostic and therapeutic purposes, method for the production thereof and medicaments containing these compounds DIAGNOSTIKFORSCHUNG INST (DE) 1996-10-23 CN disclosed